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2PJ7
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BU of 2pj7 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzenesulfonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJC
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BU of 2pjc by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propyl}-hydroxy-phosphinoyloxy)-(3-guanidino-phenyl)-acetic acid COMPLEX
Descriptor: (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ6
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BU of 2pj6 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(2-phenyl-ethanesulfonylamino)-propyl]-phosphinoyl}-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PIZ
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BU of 2piz by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Guanidino-phenyl)-3-[hydroxy-(3-phenyl-propyl)-phosphinoyl]-propionic acid COMPLEX
Descriptor: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ5
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BU of 2pj5 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-hexyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
Descriptor: (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
5YBE
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BU of 5ybe by Molmil
Structure of KANK1/KIF21A complex
Descriptor: 1,2-ETHANEDIOL, KIF21A, Kank1 protein
Authors:Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G.
Deposit date:2017-09-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex.
J. Biol. Chem., 293, 2018
2PJ8
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BU of 2pj8 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(biphenyl-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJA
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BU of 2pja by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 3-{[(R)-1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-2-(3-guanidino-phenyl)-propionic acid COMPLEX
Descriptor: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ1
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BU of 2pj1 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Aminomethyl-phenyl)-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-acetic acid COMPLEX
Descriptor: (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ2
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BU of 2pj2 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJB
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BU of 2pjb by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[1-((S)-2-benzyloxycarbonylamino-3-phenyl-propane-1-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
Descriptor: (5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-5-BENZYL-10-HYDROXY-9-ISOPROPYL-3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-TRIOXIDE, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ3
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BU of 2pj3 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Guanidino-phenyl)-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propionylamino)-propyl]-phosphinoyloxy}-acetic acid COMPLEX
Descriptor: (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
5VQM
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BU of 5vqm by Molmil
Clostridium difficile TcdB-GTD bound to PA41 Fab
Descriptor: PA41 FAB HEAVY CHAIN, PA41 FAB LIGHT CHAIN, Toxin B
Authors:Kroh, H.K, Spiller, B.W, Lacy, D.B.
Deposit date:2017-05-09
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells.
J. Biol. Chem., 293, 2018
8J6O
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BU of 8j6o by Molmil
transport T2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein (Fragment),SID1 transmembrane family member 2, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2023-04-26
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8J6M
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BU of 8j6m by Molmil
SIDT1 protein
Descriptor: CHOLESTEROL, Green fluorescent protein,SID1 transmembrane family member 1, OLEIC ACID, ...
Authors:Zhang, J.T, Jiang, D.H.
Deposit date:2023-04-26
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
2O8M
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BU of 2o8m by Molmil
Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
Descriptor: Protease, SODIUM ION, ZINC ION
Authors:Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
Deposit date:2006-12-12
Release date:2007-10-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
Descriptor: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Sack, J.S.
Deposit date:2017-04-26
Release date:2017-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
Descriptor: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
5HKY
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BU of 5hky by Molmil
Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
5HKX
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BU of 5hkx by Molmil
Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CBL, SODIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
To be published
6WZT
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BU of 6wzt by Molmil
CryoEM structure of influenza hemagglutinin A/Victoria/361/2011 in complex with cyno antibody 3B10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cyno antibody heavy chain, ...
Authors:Qiu, Y, Zhou, Y, Darricarrere, N.
Deposit date:2020-05-14
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates.
Sci Transl Med, 13, 2021
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-05-13
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
Descriptor: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z, Lin, Z.
Deposit date:2022-05-13
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSA
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BU of 7xsa by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
Descriptor: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z.
Deposit date:2022-05-13
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023

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数据于2024-07-24公开中

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